USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot 180:sc= -0.627 USER MOD Set 1.2: A 88 GLN : amide:sc= -5.95! K(o=-6.6!,f=-2.6) USER MOD Set 2.1: A 71 MET CE :methyl -153:sc= -0.789 (180deg=-1.14) USER MOD Set 2.2: A 87 CYS SG : rot 6:sc= -0.644 USER MOD Single : A 20 SER OG : rot 12:sc= -0.221 USER MOD Single : A 24 GLN : amide:sc= -13.3! C(o=-13!,f=-10!) USER MOD Single : A 34 HIS : no HE2:sc= -1.55 K(o=-1.5,f=-4.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -6.32! C(o=-6.3!,f=-13!) USER MOD Single : A 45 GLN : amide:sc= -5.5! C(o=-5.5!,f=-5.1!) USER MOD Single : A 47 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.7!) USER MOD Single : A 50 ASN : amide:sc= -5.62! C(o=-5.6!,f=-2.4!) USER MOD Single : A 54 GLN : amide:sc= -3.07! C(o=-3.1!,f=-4.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.023 USER MOD Single : A 89 HIS : no HD1:sc= -4.75! C(o=-4.7!,f=-8!) USER MOD Single : A 94 SER OG : rot 168:sc= -4.64! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.633 3.676 -2.557 1.00 0.00 N ATOM 236 CA ILE A 14 107.104 3.614 -3.917 1.00 0.00 C ATOM 237 C ILE A 14 105.661 4.097 -3.951 1.00 0.00 C ATOM 238 O ILE A 14 104.736 3.320 -3.717 1.00 0.00 O ATOM 239 CB ILE A 14 107.155 2.172 -4.432 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.541 1.575 -4.163 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.860 2.147 -5.941 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.625 2.520 -4.690 1.00 0.00 C ATOM 0 HA ILE A 14 107.715 4.257 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 14 106.403 1.579 -3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.676 1.413 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.628 0.602 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.898 1.119 -6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.868 2.560 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.605 2.744 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.608 2.090 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.495 2.660 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.544 3.483 -4.186 1.00 0.00 H new ATOM 254 N ALA A 15 105.463 5.382 -4.235 1.00 0.00 N ATOM 255 CA ALA A 15 104.109 5.922 -4.281 1.00 0.00 C ATOM 256 C ALA A 15 103.555 5.932 -5.699 1.00 0.00 C ATOM 257 O ALA A 15 104.076 6.608 -6.586 1.00 0.00 O ATOM 258 CB ALA A 15 104.097 7.348 -3.733 1.00 0.00 C ATOM 0 H ALA A 15 106.204 6.054 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 15 103.479 5.277 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.082 7.744 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.447 7.344 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.754 7.975 -4.336 1.00 0.00 H new ATOM 264 N PHE A 16 102.456 5.213 -5.873 1.00 0.00 N ATOM 265 CA PHE A 16 101.757 5.156 -7.146 1.00 0.00 C ATOM 266 C PHE A 16 100.280 4.923 -6.867 1.00 0.00 C ATOM 267 O PHE A 16 99.924 4.467 -5.780 1.00 0.00 O ATOM 268 CB PHE A 16 102.345 4.074 -8.059 1.00 0.00 C ATOM 269 CG PHE A 16 101.999 2.691 -7.566 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.516 2.228 -6.353 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.187 1.857 -8.346 1.00 0.00 C ATOM 272 CE1 PHE A 16 102.217 0.933 -5.916 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.896 0.561 -7.911 1.00 0.00 C ATOM 274 CZ PHE A 16 101.410 0.098 -6.697 1.00 0.00 C ATOM 0 H PHE A 16 102.025 4.654 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 16 101.879 6.099 -7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.967 4.206 -9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.428 4.185 -8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 16 103.146 2.869 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.786 2.215 -9.283 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.609 0.577 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.273 -0.083 -8.514 1.00 0.00 H new ATOM 0 HZ PHE A 16 101.185 -0.904 -6.362 1.00 0.00 H new ATOM 284 N ASP A 17 99.409 5.252 -7.812 1.00 0.00 N ATOM 285 CA ASP A 17 97.977 5.077 -7.577 1.00 0.00 C ATOM 286 C ASP A 17 97.487 3.740 -8.128 1.00 0.00 C ATOM 287 O ASP A 17 97.979 3.257 -9.147 1.00 0.00 O ATOM 288 CB ASP A 17 97.197 6.228 -8.229 1.00 0.00 C ATOM 289 CG ASP A 17 96.853 5.887 -9.677 1.00 0.00 C ATOM 290 OD1 ASP A 17 95.901 5.150 -9.881 1.00 0.00 O ATOM 291 OD2 ASP A 17 97.543 6.369 -10.560 1.00 0.00 O ATOM 0 H ASP A 17 99.656 5.632 -8.726 1.00 0.00 H new ATOM 0 HA ASP A 17 97.805 5.084 -6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 17 96.283 6.420 -7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.790 7.142 -8.195 1.00 0.00 H new ATOM 296 N ALA A 18 96.507 3.155 -7.445 1.00 0.00 N ATOM 297 CA ALA A 18 95.941 1.880 -7.865 1.00 0.00 C ATOM 298 C ALA A 18 94.812 1.476 -6.923 1.00 0.00 C ATOM 299 O ALA A 18 94.542 2.158 -5.934 1.00 0.00 O ATOM 300 CB ALA A 18 97.019 0.792 -7.883 1.00 0.00 C ATOM 0 H ALA A 18 96.090 3.544 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 18 95.544 1.993 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.577 -0.153 -8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.809 1.074 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.439 0.680 -6.884 1.00 0.00 H new ATOM 306 N ASP A 19 94.149 0.370 -7.241 1.00 0.00 N ATOM 307 CA ASP A 19 93.042 -0.111 -6.418 1.00 0.00 C ATOM 308 C ASP A 19 93.513 -1.176 -5.433 1.00 0.00 C ATOM 309 O ASP A 19 94.239 -2.097 -5.806 1.00 0.00 O ATOM 310 CB ASP A 19 91.944 -0.690 -7.319 1.00 0.00 C ATOM 311 CG ASP A 19 90.567 -0.276 -6.808 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.136 -0.828 -5.809 1.00 0.00 O ATOM 313 OD2 ASP A 19 89.964 0.589 -7.422 1.00 0.00 O ATOM 0 H ASP A 19 94.355 -0.208 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 19 92.647 0.730 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 19 92.081 -0.339 -8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.019 -1.777 -7.343 1.00 0.00 H new ATOM 318 N SER A 20 93.078 -1.059 -4.180 1.00 0.00 N ATOM 319 CA SER A 20 93.447 -2.036 -3.163 1.00 0.00 C ATOM 320 C SER A 20 92.224 -2.435 -2.338 1.00 0.00 C ATOM 321 O SER A 20 91.270 -1.671 -2.209 1.00 0.00 O ATOM 322 CB SER A 20 94.519 -1.460 -2.242 1.00 0.00 C ATOM 323 OG SER A 20 94.139 -0.149 -1.847 1.00 0.00 O ATOM 0 H SER A 20 92.476 -0.305 -3.849 1.00 0.00 H new ATOM 0 HA SER A 20 93.841 -2.920 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.642 -2.096 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.481 -1.434 -2.755 1.00 0.00 H new ATOM 0 HG SER A 20 93.205 0.011 -2.099 1.00 0.00 H new ATOM 329 N GLU A 21 92.268 -3.635 -1.777 1.00 0.00 N ATOM 330 CA GLU A 21 91.172 -4.139 -0.951 1.00 0.00 C ATOM 331 C GLU A 21 91.749 -4.748 0.313 1.00 0.00 C ATOM 332 O GLU A 21 92.810 -5.370 0.275 1.00 0.00 O ATOM 333 CB GLU A 21 90.374 -5.197 -1.717 1.00 0.00 C ATOM 334 CG GLU A 21 89.969 -4.644 -3.085 1.00 0.00 C ATOM 335 CD GLU A 21 89.225 -5.712 -3.880 1.00 0.00 C ATOM 336 OE1 GLU A 21 88.600 -6.557 -3.261 1.00 0.00 O ATOM 337 OE2 GLU A 21 89.292 -5.669 -5.098 1.00 0.00 O ATOM 0 H GLU A 21 93.051 -4.281 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 21 90.503 -3.317 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 21 90.973 -6.099 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.487 -5.479 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.336 -3.766 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.855 -4.322 -3.633 1.00 0.00 H new ATOM 344 N ILE A 22 91.064 -4.565 1.436 1.00 0.00 N ATOM 345 CA ILE A 22 91.559 -5.112 2.698 1.00 0.00 C ATOM 346 C ILE A 22 90.536 -6.039 3.331 1.00 0.00 C ATOM 347 O ILE A 22 89.344 -5.756 3.352 1.00 0.00 O ATOM 348 CB ILE A 22 91.920 -3.976 3.657 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.236 -3.337 3.196 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.085 -4.525 5.079 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.509 -2.062 3.997 1.00 0.00 C ATOM 0 H ILE A 22 90.184 -4.054 1.502 1.00 0.00 H new ATOM 0 HA ILE A 22 92.455 -5.697 2.490 1.00 0.00 H new ATOM 0 HB ILE A 22 91.125 -3.231 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.057 -4.041 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.183 -3.104 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.342 -3.710 5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.151 -4.985 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 22 92.880 -5.271 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.445 -1.616 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.694 -1.354 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.582 -2.307 5.057 1.00 0.00 H new ATOM 363 N LEU A 23 91.029 -7.165 3.831 1.00 0.00 N ATOM 364 CA LEU A 23 90.179 -8.165 4.454 1.00 0.00 C ATOM 365 C LEU A 23 90.611 -8.429 5.886 1.00 0.00 C ATOM 366 O LEU A 23 91.751 -8.807 6.151 1.00 0.00 O ATOM 367 CB LEU A 23 90.250 -9.473 3.653 1.00 0.00 C ATOM 368 CG LEU A 23 90.658 -9.159 2.208 1.00 0.00 C ATOM 369 CD1 LEU A 23 92.189 -9.087 2.100 1.00 0.00 C ATOM 370 CD2 LEU A 23 90.132 -10.248 1.262 1.00 0.00 C ATOM 0 H LEU A 23 92.020 -7.407 3.816 1.00 0.00 H new ATOM 0 HA LEU A 23 89.156 -7.788 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.971 -10.153 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.283 -9.976 3.669 1.00 0.00 H new ATOM 0 HG LEU A 23 90.228 -8.198 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.471 -8.864 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.564 -8.302 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.620 -10.044 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 23 90.427 -10.015 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.550 -11.213 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 23 89.045 -10.290 1.325 1.00 0.00 H new ATOM 382 N GLN A 24 89.671 -8.256 6.795 1.00 0.00 N ATOM 383 CA GLN A 24 89.915 -8.503 8.210 1.00 0.00 C ATOM 384 C GLN A 24 88.842 -9.460 8.709 1.00 0.00 C ATOM 385 O GLN A 24 87.661 -9.250 8.452 1.00 0.00 O ATOM 386 CB GLN A 24 89.860 -7.192 9.002 1.00 0.00 C ATOM 387 CG GLN A 24 89.719 -7.491 10.503 1.00 0.00 C ATOM 388 CD GLN A 24 90.469 -6.445 11.324 1.00 0.00 C ATOM 389 OE1 GLN A 24 91.689 -6.332 11.218 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.808 -5.672 12.142 1.00 0.00 N ATOM 0 H GLN A 24 88.724 -7.943 6.581 1.00 0.00 H new ATOM 0 HA GLN A 24 90.906 -8.935 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.764 -6.610 8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.019 -6.587 8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 24 88.665 -7.496 10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.111 -8.484 10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.796 -5.767 12.228 1.00 0.00 H new ATOM 0 HE22 GLN A 24 90.303 -4.972 12.695 1.00 0.00 H new ATOM 399 N GLY A 25 89.242 -10.511 9.408 1.00 0.00 N ATOM 400 CA GLY A 25 88.270 -11.478 9.903 1.00 0.00 C ATOM 401 C GLY A 25 87.297 -11.873 8.793 1.00 0.00 C ATOM 402 O GLY A 25 87.707 -12.398 7.757 1.00 0.00 O ATOM 0 H GLY A 25 90.213 -10.716 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.786 -12.363 10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.720 -11.053 10.743 1.00 0.00 H new ATOM 406 N GLU A 26 86.008 -11.628 9.020 1.00 0.00 N ATOM 407 CA GLU A 26 84.975 -11.969 8.041 1.00 0.00 C ATOM 408 C GLU A 26 84.452 -10.727 7.317 1.00 0.00 C ATOM 409 O GLU A 26 83.414 -10.780 6.657 1.00 0.00 O ATOM 410 CB GLU A 26 83.806 -12.644 8.761 1.00 0.00 C ATOM 411 CG GLU A 26 83.279 -11.713 9.855 1.00 0.00 C ATOM 412 CD GLU A 26 82.181 -12.411 10.650 1.00 0.00 C ATOM 413 OE1 GLU A 26 82.431 -13.501 11.137 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.106 -11.844 10.761 1.00 0.00 O ATOM 0 H GLU A 26 85.653 -11.195 9.872 1.00 0.00 H new ATOM 0 HA GLU A 26 85.418 -12.638 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.012 -12.876 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.130 -13.589 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 26 84.092 -11.423 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.890 -10.798 9.409 1.00 0.00 H new ATOM 421 N ARG A 27 85.158 -9.609 7.457 1.00 0.00 N ATOM 422 CA ARG A 27 84.734 -8.360 6.824 1.00 0.00 C ATOM 423 C ARG A 27 85.681 -7.929 5.713 1.00 0.00 C ATOM 424 O ARG A 27 86.900 -7.920 5.891 1.00 0.00 O ATOM 425 CB ARG A 27 84.686 -7.244 7.863 1.00 0.00 C ATOM 426 CG ARG A 27 83.599 -7.539 8.907 1.00 0.00 C ATOM 427 CD ARG A 27 84.256 -7.986 10.208 1.00 0.00 C ATOM 428 NE ARG A 27 83.238 -8.311 11.201 1.00 0.00 N ATOM 429 CZ ARG A 27 82.651 -7.360 11.921 1.00 0.00 C ATOM 430 NH1 ARG A 27 82.997 -6.112 11.757 1.00 0.00 N ATOM 431 NH2 ARG A 27 81.733 -7.674 12.793 1.00 0.00 N ATOM 0 H ARG A 27 86.020 -9.540 7.998 1.00 0.00 H new ATOM 0 HA ARG A 27 83.749 -8.540 6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.655 -7.151 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.483 -6.291 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.993 -6.649 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 27 82.928 -8.315 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.887 -8.856 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.905 -7.196 10.587 1.00 0.00 H new ATOM 0 HE ARG A 27 82.972 -9.285 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 27 83.717 -5.867 11.077 1.00 0.00 H new ATOM 0 HH12 ARG A 27 82.547 -5.381 12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 27 81.465 -8.650 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 27 81.283 -6.944 13.345 1.00 0.00 H new ATOM 445 N ARG A 28 85.111 -7.559 4.573 1.00 0.00 N ATOM 446 CA ARG A 28 85.905 -7.107 3.430 1.00 0.00 C ATOM 447 C ARG A 28 85.429 -5.736 2.983 1.00 0.00 C ATOM 448 O ARG A 28 84.242 -5.416 3.061 1.00 0.00 O ATOM 449 CB ARG A 28 85.782 -8.122 2.280 1.00 0.00 C ATOM 450 CG ARG A 28 86.373 -7.561 0.969 1.00 0.00 C ATOM 451 CD ARG A 28 87.873 -7.880 0.880 1.00 0.00 C ATOM 452 NE ARG A 28 88.183 -8.503 -0.406 1.00 0.00 N ATOM 453 CZ ARG A 28 87.618 -9.650 -0.771 1.00 0.00 C ATOM 454 NH1 ARG A 28 86.755 -10.234 0.017 1.00 0.00 N ATOM 455 NH2 ARG A 28 87.922 -10.190 -1.919 1.00 0.00 N ATOM 0 H ARG A 28 84.104 -7.562 4.412 1.00 0.00 H new ATOM 0 HA ARG A 28 86.953 -7.033 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.299 -9.043 2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.733 -8.377 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 28 85.852 -7.991 0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 28 86.221 -6.483 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 28 88.454 -6.965 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 28 88.159 -8.547 1.693 1.00 0.00 H new ATOM 0 HE ARG A 28 88.845 -8.049 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.514 -9.810 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 28 86.322 -11.114 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 28 88.593 -9.732 -2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 28 87.489 -11.070 -2.199 1.00 0.00 H new ATOM 469 N TRP A 29 86.376 -4.925 2.533 1.00 0.00 N ATOM 470 CA TRP A 29 86.078 -3.576 2.090 1.00 0.00 C ATOM 471 C TRP A 29 86.982 -3.178 0.928 1.00 0.00 C ATOM 472 O TRP A 29 88.079 -3.710 0.769 1.00 0.00 O ATOM 473 CB TRP A 29 86.331 -2.607 3.234 1.00 0.00 C ATOM 474 CG TRP A 29 85.536 -2.979 4.439 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.196 -2.879 4.554 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.025 -3.485 5.709 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.827 -3.286 5.827 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.926 -3.666 6.577 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.308 -3.797 6.183 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.100 -4.139 7.881 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.490 -4.274 7.489 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.388 -4.443 8.340 1.00 0.00 C ATOM 0 H TRP A 29 87.361 -5.182 2.466 1.00 0.00 H new ATOM 0 HA TRP A 29 85.036 -3.542 1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.392 -2.602 3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.072 -1.595 2.922 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.522 -2.538 3.782 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.866 -3.303 6.168 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.163 -3.669 5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.247 -4.269 8.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.483 -4.512 7.841 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.532 -4.807 9.347 1.00 0.00 H new ATOM 493 N GLU A 30 86.520 -2.216 0.135 1.00 0.00 N ATOM 494 CA GLU A 30 87.299 -1.727 -0.994 1.00 0.00 C ATOM 495 C GLU A 30 87.972 -0.412 -0.609 1.00 0.00 C ATOM 496 O GLU A 30 87.354 0.434 0.037 1.00 0.00 O ATOM 497 CB GLU A 30 86.388 -1.495 -2.202 1.00 0.00 C ATOM 498 CG GLU A 30 85.745 -2.820 -2.634 1.00 0.00 C ATOM 499 CD GLU A 30 85.384 -2.766 -4.116 1.00 0.00 C ATOM 500 OE1 GLU A 30 86.250 -2.424 -4.904 1.00 0.00 O ATOM 501 OE2 GLU A 30 84.246 -3.067 -4.439 1.00 0.00 O ATOM 0 H GLU A 30 85.614 -1.762 0.254 1.00 0.00 H new ATOM 0 HA GLU A 30 88.054 -2.469 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.614 -0.770 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.963 -1.074 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 30 86.433 -3.645 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.851 -3.011 -2.040 1.00 0.00 H new ATOM 508 N VAL A 31 89.230 -0.238 -0.989 1.00 0.00 N ATOM 509 CA VAL A 31 89.947 0.989 -0.651 1.00 0.00 C ATOM 510 C VAL A 31 90.953 1.356 -1.731 1.00 0.00 C ATOM 511 O VAL A 31 91.392 0.509 -2.507 1.00 0.00 O ATOM 512 CB VAL A 31 90.693 0.813 0.676 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.691 0.649 1.819 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.586 -0.428 0.597 1.00 0.00 C ATOM 0 H VAL A 31 89.771 -0.918 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 31 89.211 1.788 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 31 91.306 1.694 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.229 0.524 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.058 1.534 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.071 -0.229 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.117 -0.555 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.971 -1.307 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.307 -0.307 -0.212 1.00 0.00 H new ATOM 524 N LEU A 32 91.334 2.627 -1.753 1.00 0.00 N ATOM 525 CA LEU A 32 92.313 3.105 -2.716 1.00 0.00 C ATOM 526 C LEU A 32 93.677 3.161 -2.042 1.00 0.00 C ATOM 527 O LEU A 32 93.817 3.710 -0.948 1.00 0.00 O ATOM 528 CB LEU A 32 91.912 4.492 -3.249 1.00 0.00 C ATOM 529 CG LEU A 32 92.140 5.578 -2.188 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.705 6.931 -2.756 1.00 0.00 C ATOM 531 CD2 LEU A 32 91.311 5.270 -0.937 1.00 0.00 C ATOM 0 H LEU A 32 90.981 3.342 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 32 92.355 2.423 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.493 4.724 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 32 90.863 4.482 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 32 93.197 5.604 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.864 7.708 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.293 7.158 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.648 6.892 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 32 91.479 6.045 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 32 90.253 5.241 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 32 91.610 4.304 -0.531 1.00 0.00 H new ATOM 543 N LEU A 33 94.683 2.585 -2.683 1.00 0.00 N ATOM 544 CA LEU A 33 96.018 2.590 -2.104 1.00 0.00 C ATOM 545 C LEU A 33 96.798 3.782 -2.629 1.00 0.00 C ATOM 546 O LEU A 33 96.885 4.005 -3.835 1.00 0.00 O ATOM 547 CB LEU A 33 96.752 1.283 -2.432 1.00 0.00 C ATOM 548 CG LEU A 33 98.262 1.425 -2.152 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.768 0.175 -1.428 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.019 1.582 -3.476 1.00 0.00 C ATOM 0 H LEU A 33 94.605 2.117 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 33 95.933 2.669 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.341 0.469 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.593 1.023 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 33 98.431 2.303 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.835 0.276 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.234 0.059 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.596 -0.702 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.086 1.682 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.848 0.704 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.662 2.471 -3.996 1.00 0.00 H new ATOM 562 N HIS A 34 97.333 4.562 -1.703 1.00 0.00 N ATOM 563 CA HIS A 34 98.075 5.758 -2.060 1.00 0.00 C ATOM 564 C HIS A 34 99.573 5.479 -2.210 1.00 0.00 C ATOM 565 O HIS A 34 100.244 6.163 -2.981 1.00 0.00 O ATOM 566 CB HIS A 34 97.808 6.833 -1.016 1.00 0.00 C ATOM 567 CG HIS A 34 96.423 7.387 -1.222 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.178 8.499 -2.011 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.195 6.978 -0.758 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.849 8.717 -2.001 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.205 7.820 -1.252 1.00 0.00 N ATOM 0 H HIS A 34 97.267 4.388 -0.700 1.00 0.00 H new ATOM 0 HA HIS A 34 97.734 6.108 -3.034 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.900 6.415 -0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.548 7.629 -1.099 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.876 9.052 -2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.025 6.132 -0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.363 9.521 -2.535 1.00 0.00 H new ATOM 579 N ASP A 35 100.094 4.459 -1.534 1.00 0.00 N ATOM 580 CA ASP A 35 101.516 4.134 -1.703 1.00 0.00 C ATOM 581 C ASP A 35 101.884 2.854 -0.964 1.00 0.00 C ATOM 582 O ASP A 35 101.162 2.404 -0.072 1.00 0.00 O ATOM 583 CB ASP A 35 102.404 5.289 -1.236 1.00 0.00 C ATOM 584 CG ASP A 35 102.286 5.449 0.276 1.00 0.00 C ATOM 585 OD1 ASP A 35 102.876 4.651 0.984 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.605 6.366 0.703 1.00 0.00 O ATOM 0 H ASP A 35 99.581 3.861 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 35 101.688 3.974 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.441 5.097 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.108 6.212 -1.733 1.00 0.00 H new ATOM 591 N VAL A 36 103.013 2.264 -1.360 1.00 0.00 N ATOM 592 CA VAL A 36 103.479 1.021 -0.754 1.00 0.00 C ATOM 593 C VAL A 36 105.003 0.997 -0.658 1.00 0.00 C ATOM 594 O VAL A 36 105.698 1.820 -1.255 1.00 0.00 O ATOM 595 CB VAL A 36 102.998 -0.176 -1.586 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.902 -0.354 -2.810 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.039 -1.455 -0.745 1.00 0.00 C ATOM 0 H VAL A 36 103.618 2.628 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 36 103.068 0.958 0.253 1.00 0.00 H new ATOM 0 HB VAL A 36 101.974 0.013 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.556 -1.205 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.867 0.547 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.927 -0.531 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.696 -2.297 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.061 -1.639 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.390 -1.341 0.123 1.00 0.00 H new ATOM 607 N SER A 37 105.502 0.017 0.087 1.00 0.00 N ATOM 608 CA SER A 37 106.930 -0.186 0.274 1.00 0.00 C ATOM 609 C SER A 37 107.184 -1.689 0.292 1.00 0.00 C ATOM 610 O SER A 37 106.234 -2.469 0.371 1.00 0.00 O ATOM 611 CB SER A 37 107.386 0.438 1.595 1.00 0.00 C ATOM 612 OG SER A 37 108.798 0.598 1.576 1.00 0.00 O ATOM 0 H SER A 37 104.922 -0.662 0.580 1.00 0.00 H new ATOM 0 HA SER A 37 107.489 0.288 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.901 1.403 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.092 -0.196 2.431 1.00 0.00 H new ATOM 0 HG SER A 37 109.093 0.999 2.420 1.00 0.00 H new ATOM 618 N LEU A 38 108.437 -2.112 0.217 1.00 0.00 N ATOM 619 CA LEU A 38 108.706 -3.545 0.224 1.00 0.00 C ATOM 620 C LEU A 38 108.270 -4.166 1.550 1.00 0.00 C ATOM 621 O LEU A 38 108.423 -5.369 1.756 1.00 0.00 O ATOM 622 CB LEU A 38 110.190 -3.836 -0.043 1.00 0.00 C ATOM 623 CG LEU A 38 111.067 -2.759 0.602 1.00 0.00 C ATOM 624 CD1 LEU A 38 110.698 -2.604 2.077 1.00 0.00 C ATOM 625 CD2 LEU A 38 112.538 -3.172 0.490 1.00 0.00 C ATOM 0 H LEU A 38 109.258 -1.510 0.153 1.00 0.00 H new ATOM 0 HA LEU A 38 108.126 -3.997 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.453 -4.816 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.374 -3.869 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 38 110.908 -1.810 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 38 111.325 -1.836 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 38 109.651 -2.313 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 38 110.854 -3.552 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 38 113.166 -2.408 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.689 -4.122 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 38 112.806 -3.280 -0.561 1.00 0.00 H new ATOM 637 N HIS A 39 107.718 -3.345 2.443 1.00 0.00 N ATOM 638 CA HIS A 39 107.257 -3.848 3.733 1.00 0.00 C ATOM 639 C HIS A 39 106.373 -2.819 4.446 1.00 0.00 C ATOM 640 O HIS A 39 106.518 -2.591 5.648 1.00 0.00 O ATOM 641 CB HIS A 39 108.457 -4.213 4.615 1.00 0.00 C ATOM 642 CG HIS A 39 109.038 -2.972 5.240 1.00 0.00 C ATOM 643 ND1 HIS A 39 109.794 -2.063 4.520 1.00 0.00 N ATOM 644 CD2 HIS A 39 108.983 -2.481 6.521 1.00 0.00 C ATOM 645 CE1 HIS A 39 110.160 -1.080 5.361 1.00 0.00 C ATOM 646 NE2 HIS A 39 109.692 -1.287 6.595 1.00 0.00 N ATOM 0 H HIS A 39 107.581 -2.344 2.299 1.00 0.00 H new ATOM 0 HA HIS A 39 106.658 -4.741 3.553 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.147 -4.910 5.393 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.216 -4.718 4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.468 -2.951 7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 39 110.759 -0.228 5.074 1.00 0.00 H new ATOM 0 HE2 HIS A 39 109.826 -0.696 7.415 1.00 0.00 H new ATOM 654 N GLY A 40 105.450 -2.207 3.703 1.00 0.00 N ATOM 655 CA GLY A 40 104.548 -1.212 4.285 1.00 0.00 C ATOM 656 C GLY A 40 103.541 -0.716 3.252 1.00 0.00 C ATOM 657 O GLY A 40 103.817 -0.730 2.057 1.00 0.00 O ATOM 0 H GLY A 40 105.308 -2.380 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.020 -1.647 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.127 -0.371 4.667 1.00 0.00 H new ATOM 661 N ILE A 41 102.363 -0.292 3.713 1.00 0.00 N ATOM 662 CA ILE A 41 101.323 0.190 2.802 1.00 0.00 C ATOM 663 C ILE A 41 100.472 1.281 3.448 1.00 0.00 C ATOM 664 O ILE A 41 100.241 1.286 4.655 1.00 0.00 O ATOM 665 CB ILE A 41 100.432 -0.988 2.348 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.942 -0.603 2.412 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.674 -2.199 3.247 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.083 -1.736 1.839 1.00 0.00 C ATOM 0 H ILE A 41 102.107 -0.272 4.700 1.00 0.00 H new ATOM 0 HA ILE A 41 101.813 0.627 1.932 1.00 0.00 H new ATOM 0 HB ILE A 41 100.691 -1.233 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.654 -0.403 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.770 0.315 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.043 -3.026 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.721 -2.495 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.431 -1.941 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.031 -1.455 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.363 -1.915 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.244 -2.644 2.420 1.00 0.00 H new ATOM 680 N LEU A 42 99.987 2.189 2.601 1.00 0.00 N ATOM 681 CA LEU A 42 99.126 3.287 3.033 1.00 0.00 C ATOM 682 C LEU A 42 97.808 3.184 2.276 1.00 0.00 C ATOM 683 O LEU A 42 97.804 2.944 1.068 1.00 0.00 O ATOM 684 CB LEU A 42 99.794 4.639 2.721 1.00 0.00 C ATOM 685 CG LEU A 42 99.650 5.597 3.909 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.634 6.757 3.747 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.224 6.148 3.959 1.00 0.00 C ATOM 0 H LEU A 42 100.180 2.183 1.599 1.00 0.00 H new ATOM 0 HA LEU A 42 98.955 3.224 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.849 4.486 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.339 5.080 1.834 1.00 0.00 H new ATOM 0 HG LEU A 42 99.863 5.059 4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.534 7.440 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.652 6.369 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.419 7.290 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.126 6.828 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 42 98.009 6.685 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.519 5.324 4.073 1.00 0.00 H new ATOM 699 N VAL A 43 96.694 3.340 2.974 1.00 0.00 N ATOM 700 CA VAL A 43 95.392 3.230 2.318 1.00 0.00 C ATOM 701 C VAL A 43 94.405 4.264 2.842 1.00 0.00 C ATOM 702 O VAL A 43 94.684 4.986 3.797 1.00 0.00 O ATOM 703 CB VAL A 43 94.818 1.827 2.534 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.810 0.779 2.021 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.570 1.606 4.027 1.00 0.00 C ATOM 0 H VAL A 43 96.659 3.539 3.974 1.00 0.00 H new ATOM 0 HA VAL A 43 95.543 3.414 1.254 1.00 0.00 H new ATOM 0 HB VAL A 43 93.879 1.732 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.398 -0.218 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.988 0.937 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.751 0.872 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.161 0.608 4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.510 1.703 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.862 2.350 4.392 1.00 0.00 H new ATOM 715 N GLY A 44 93.232 4.299 2.216 1.00 0.00 N ATOM 716 CA GLY A 44 92.167 5.217 2.632 1.00 0.00 C ATOM 717 C GLY A 44 91.182 4.479 3.534 1.00 0.00 C ATOM 718 O GLY A 44 90.935 3.289 3.334 1.00 0.00 O ATOM 0 H GLY A 44 92.992 3.706 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.593 6.069 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.650 5.611 1.757 1.00 0.00 H new ATOM 722 N GLN A 45 90.637 5.158 4.545 1.00 0.00 N ATOM 723 CA GLN A 45 89.709 4.506 5.468 1.00 0.00 C ATOM 724 C GLN A 45 88.267 4.549 4.948 1.00 0.00 C ATOM 725 O GLN A 45 87.688 5.626 4.817 1.00 0.00 O ATOM 726 CB GLN A 45 89.781 5.211 6.832 1.00 0.00 C ATOM 727 CG GLN A 45 89.080 6.578 6.775 1.00 0.00 C ATOM 728 CD GLN A 45 87.603 6.436 7.140 1.00 0.00 C ATOM 729 OE1 GLN A 45 86.747 7.063 6.517 1.00 0.00 O ATOM 730 NE2 GLN A 45 87.255 5.644 8.118 1.00 0.00 N ATOM 0 H GLN A 45 90.818 6.142 4.743 1.00 0.00 H new ATOM 0 HA GLN A 45 89.999 3.460 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 45 89.313 4.588 7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 45 90.823 5.343 7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 45 89.566 7.271 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.175 7.001 5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.967 5.126 8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.271 5.544 8.368 1.00 0.00 H new ATOM 739 N PRO A 46 87.661 3.427 4.655 1.00 0.00 N ATOM 740 CA PRO A 46 86.259 3.409 4.169 1.00 0.00 C ATOM 741 C PRO A 46 85.265 3.436 5.337 1.00 0.00 C ATOM 742 O PRO A 46 85.628 3.148 6.477 1.00 0.00 O ATOM 743 CB PRO A 46 86.186 2.109 3.380 1.00 0.00 C ATOM 744 CG PRO A 46 87.135 1.189 4.090 1.00 0.00 C ATOM 745 CD PRO A 46 88.222 2.074 4.728 1.00 0.00 C ATOM 0 HA PRO A 46 85.996 4.279 3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.173 1.706 3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.479 2.258 2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.614 0.609 4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.577 0.477 3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.423 1.780 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.165 2.002 4.186 1.00 0.00 H new ATOM 753 N GLN A 47 84.023 3.808 5.050 1.00 0.00 N ATOM 754 CA GLN A 47 82.994 3.898 6.087 1.00 0.00 C ATOM 755 C GLN A 47 82.658 2.534 6.697 1.00 0.00 C ATOM 756 O GLN A 47 82.405 2.431 7.897 1.00 0.00 O ATOM 757 CB GLN A 47 81.724 4.518 5.497 1.00 0.00 C ATOM 758 CG GLN A 47 81.308 3.750 4.228 1.00 0.00 C ATOM 759 CD GLN A 47 81.292 4.679 3.014 1.00 0.00 C ATOM 760 OE1 GLN A 47 81.982 5.698 2.996 1.00 0.00 O ATOM 761 NE2 GLN A 47 80.539 4.381 1.990 1.00 0.00 N ATOM 0 H GLN A 47 83.702 4.052 4.113 1.00 0.00 H new ATOM 0 HA GLN A 47 83.391 4.526 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 47 80.919 4.488 6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.898 5.567 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.000 2.926 4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 47 80.320 3.312 4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 47 79.968 3.536 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 47 80.522 4.993 1.174 1.00 0.00 H new ATOM 770 N ASP A 48 82.628 1.497 5.867 1.00 0.00 N ATOM 771 CA ASP A 48 82.289 0.156 6.342 1.00 0.00 C ATOM 772 C ASP A 48 83.437 -0.476 7.132 1.00 0.00 C ATOM 773 O ASP A 48 83.390 -1.657 7.468 1.00 0.00 O ATOM 774 CB ASP A 48 81.935 -0.736 5.150 1.00 0.00 C ATOM 775 CG ASP A 48 80.509 -0.454 4.689 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.296 0.585 4.086 1.00 0.00 O ATOM 777 OD2 ASP A 48 79.650 -1.281 4.947 1.00 0.00 O ATOM 0 H ASP A 48 82.832 1.555 4.869 1.00 0.00 H new ATOM 0 HA ASP A 48 81.434 0.246 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.632 -0.556 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.035 -1.785 5.429 1.00 0.00 H new ATOM 782 N TRP A 49 84.466 0.310 7.417 1.00 0.00 N ATOM 783 CA TRP A 49 85.624 -0.190 8.159 1.00 0.00 C ATOM 784 C TRP A 49 85.234 -0.735 9.528 1.00 0.00 C ATOM 785 O TRP A 49 85.610 -0.167 10.551 1.00 0.00 O ATOM 786 CB TRP A 49 86.628 0.940 8.357 1.00 0.00 C ATOM 787 CG TRP A 49 87.898 0.406 8.943 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.214 0.415 10.255 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.010 -0.206 8.253 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.476 -0.145 10.420 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.015 -0.535 9.200 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.240 -0.492 6.898 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.216 -1.133 8.789 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.434 -1.090 6.492 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.416 -1.403 7.431 1.00 0.00 C ATOM 0 H TRP A 49 84.527 1.292 7.149 1.00 0.00 H new ATOM 0 HA TRP A 49 86.059 -1.002 7.576 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.835 1.424 7.403 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.206 1.700 9.015 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.588 0.796 11.048 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.945 -0.255 11.319 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.487 -0.247 6.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.978 -1.382 9.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.598 -1.311 5.448 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.340 -1.858 7.107 1.00 0.00 H new ATOM 806 N ASN A 50 84.506 -1.846 9.560 1.00 0.00 N ATOM 807 CA ASN A 50 84.128 -2.437 10.841 1.00 0.00 C ATOM 808 C ASN A 50 85.157 -3.490 11.242 1.00 0.00 C ATOM 809 O ASN A 50 84.928 -4.688 11.077 1.00 0.00 O ATOM 810 CB ASN A 50 82.731 -3.059 10.766 1.00 0.00 C ATOM 811 CG ASN A 50 82.174 -3.253 12.170 1.00 0.00 C ATOM 812 OD1 ASN A 50 80.958 -3.233 12.365 1.00 0.00 O ATOM 813 ND2 ASN A 50 82.994 -3.441 13.167 1.00 0.00 N ATOM 0 H ASN A 50 84.172 -2.346 8.736 1.00 0.00 H new ATOM 0 HA ASN A 50 84.104 -1.650 11.595 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.068 -2.416 10.188 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.777 -4.017 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.629 -3.572 14.110 1.00 0.00 H new ATOM 0 HD22 ASN A 50 84.001 -3.457 13.003 1.00 0.00 H new ATOM 820 N GLY A 51 86.293 -3.032 11.762 1.00 0.00 N ATOM 821 CA GLY A 51 87.359 -3.941 12.174 1.00 0.00 C ATOM 822 C GLY A 51 88.103 -3.404 13.393 1.00 0.00 C ATOM 823 O GLY A 51 88.304 -2.197 13.531 1.00 0.00 O ATOM 0 H GLY A 51 86.498 -2.044 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.937 -4.919 12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.059 -4.081 11.350 1.00 0.00 H new ATOM 827 N ASP A 52 88.504 -4.314 14.271 1.00 0.00 N ATOM 828 CA ASP A 52 89.224 -3.941 15.486 1.00 0.00 C ATOM 829 C ASP A 52 90.695 -3.624 15.177 1.00 0.00 C ATOM 830 O ASP A 52 91.412 -4.465 14.632 1.00 0.00 O ATOM 831 CB ASP A 52 89.142 -5.077 16.510 1.00 0.00 C ATOM 832 CG ASP A 52 89.330 -4.527 17.920 1.00 0.00 C ATOM 833 OD1 ASP A 52 88.571 -3.650 18.299 1.00 0.00 O ATOM 834 OD2 ASP A 52 90.229 -4.990 18.601 1.00 0.00 O ATOM 0 H ASP A 52 88.344 -5.316 14.166 1.00 0.00 H new ATOM 0 HA ASP A 52 88.759 -3.046 15.898 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.177 -5.578 16.432 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.907 -5.824 16.298 1.00 0.00 H new ATOM 839 N PRO A 53 91.155 -2.433 15.501 1.00 0.00 N ATOM 840 CA PRO A 53 92.566 -2.012 15.236 1.00 0.00 C ATOM 841 C PRO A 53 93.581 -2.929 15.909 1.00 0.00 C ATOM 842 O PRO A 53 94.738 -2.991 15.496 1.00 0.00 O ATOM 843 CB PRO A 53 92.656 -0.582 15.796 1.00 0.00 C ATOM 844 CG PRO A 53 91.462 -0.404 16.674 1.00 0.00 C ATOM 845 CD PRO A 53 90.389 -1.364 16.165 1.00 0.00 C ATOM 0 HA PRO A 53 92.803 -2.062 14.173 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.578 -0.442 16.360 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.660 0.152 14.990 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.711 -0.620 17.713 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.107 0.626 16.638 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.783 -1.755 16.982 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.708 -0.871 15.471 1.00 0.00 H new ATOM 853 N GLN A 54 93.152 -3.626 16.953 1.00 0.00 N ATOM 854 CA GLN A 54 94.058 -4.513 17.667 1.00 0.00 C ATOM 855 C GLN A 54 94.256 -5.835 16.925 1.00 0.00 C ATOM 856 O GLN A 54 95.272 -6.505 17.109 1.00 0.00 O ATOM 857 CB GLN A 54 93.526 -4.788 19.077 1.00 0.00 C ATOM 858 CG GLN A 54 93.757 -3.561 19.961 1.00 0.00 C ATOM 859 CD GLN A 54 92.965 -2.372 19.427 1.00 0.00 C ATOM 860 OE1 GLN A 54 91.763 -2.484 19.183 1.00 0.00 O ATOM 861 NE2 GLN A 54 93.571 -1.233 19.229 1.00 0.00 N ATOM 0 H GLN A 54 92.200 -3.596 17.319 1.00 0.00 H new ATOM 0 HA GLN A 54 95.025 -4.013 17.731 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.463 -5.024 19.036 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.029 -5.656 19.504 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.454 -3.779 20.985 1.00 0.00 H new ATOM 0 HG3 GLN A 54 94.819 -3.318 19.988 1.00 0.00 H new ATOM 0 HE21 GLN A 54 94.567 -1.143 19.432 1.00 0.00 H new ATOM 0 HE22 GLN A 54 93.049 -0.433 18.871 1.00 0.00 H new ATOM 870 N ARG A 55 93.293 -6.212 16.085 1.00 0.00 N ATOM 871 CA ARG A 55 93.411 -7.462 15.334 1.00 0.00 C ATOM 872 C ARG A 55 94.084 -7.199 13.988 1.00 0.00 C ATOM 873 O ARG A 55 94.056 -6.080 13.480 1.00 0.00 O ATOM 874 CB ARG A 55 92.028 -8.096 15.122 1.00 0.00 C ATOM 875 CG ARG A 55 91.777 -9.175 16.181 1.00 0.00 C ATOM 876 CD ARG A 55 90.521 -9.966 15.815 1.00 0.00 C ATOM 877 NE ARG A 55 90.320 -11.056 16.762 1.00 0.00 N ATOM 878 CZ ARG A 55 89.360 -11.959 16.581 1.00 0.00 C ATOM 879 NH1 ARG A 55 88.580 -11.882 15.537 1.00 0.00 N ATOM 880 NH2 ARG A 55 89.200 -12.922 17.446 1.00 0.00 N ATOM 0 H ARG A 55 92.439 -5.683 15.909 1.00 0.00 H new ATOM 0 HA ARG A 55 94.024 -8.158 15.907 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.255 -7.330 15.181 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.968 -8.533 14.125 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.635 -9.844 16.245 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.657 -8.716 17.162 1.00 0.00 H new ATOM 0 HD2 ARG A 55 89.653 -9.307 15.818 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.615 -10.365 14.805 1.00 0.00 H new ATOM 0 HE ARG A 55 90.927 -11.128 17.579 1.00 0.00 H new ATOM 0 HH11 ARG A 55 88.707 -11.130 14.860 1.00 0.00 H new ATOM 0 HH12 ARG A 55 87.844 -12.574 15.398 1.00 0.00 H new ATOM 0 HH21 ARG A 55 89.811 -12.982 18.261 1.00 0.00 H new ATOM 0 HH22 ARG A 55 88.464 -13.615 17.308 1.00 0.00 H new ATOM 894 N PRO A 56 94.703 -8.201 13.420 1.00 0.00 N ATOM 895 CA PRO A 56 95.422 -8.073 12.118 1.00 0.00 C ATOM 896 C PRO A 56 94.489 -7.824 10.937 1.00 0.00 C ATOM 897 O PRO A 56 93.290 -8.097 10.997 1.00 0.00 O ATOM 898 CB PRO A 56 96.163 -9.408 11.974 1.00 0.00 C ATOM 899 CG PRO A 56 95.385 -10.377 12.801 1.00 0.00 C ATOM 900 CD PRO A 56 94.786 -9.572 13.954 1.00 0.00 C ATOM 0 HA PRO A 56 96.087 -7.209 12.114 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.206 -9.725 10.932 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.192 -9.327 12.325 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.602 -10.852 12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.028 -11.173 13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.804 -9.951 14.238 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.415 -9.618 14.843 1.00 0.00 H new ATOM 908 N PHE A 57 95.074 -7.311 9.859 1.00 0.00 N ATOM 909 CA PHE A 57 94.342 -7.019 8.634 1.00 0.00 C ATOM 910 C PHE A 57 95.097 -7.621 7.449 1.00 0.00 C ATOM 911 O PHE A 57 96.310 -7.813 7.529 1.00 0.00 O ATOM 912 CB PHE A 57 94.249 -5.500 8.432 1.00 0.00 C ATOM 913 CG PHE A 57 93.524 -4.861 9.594 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.184 -4.666 10.814 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.191 -4.451 9.449 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.511 -4.066 11.886 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.520 -3.852 10.520 1.00 0.00 C ATOM 918 CZ PHE A 57 92.179 -3.660 11.739 1.00 0.00 C ATOM 0 H PHE A 57 96.068 -7.087 9.811 1.00 0.00 H new ATOM 0 HA PHE A 57 93.340 -7.442 8.704 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.249 -5.076 8.341 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.724 -5.281 7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.212 -4.978 10.928 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.681 -4.598 8.508 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.020 -3.916 12.827 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.493 -3.538 10.406 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.660 -3.199 12.567 1.00 0.00 H new ATOM 928 N GLU A 58 94.405 -7.889 6.345 1.00 0.00 N ATOM 929 CA GLU A 58 95.079 -8.436 5.163 1.00 0.00 C ATOM 930 C GLU A 58 94.849 -7.497 3.987 1.00 0.00 C ATOM 931 O GLU A 58 93.740 -7.016 3.792 1.00 0.00 O ATOM 932 CB GLU A 58 94.552 -9.837 4.842 1.00 0.00 C ATOM 933 CG GLU A 58 95.237 -10.865 5.748 1.00 0.00 C ATOM 934 CD GLU A 58 94.438 -12.164 5.764 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.383 -12.180 6.377 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.893 -13.125 5.165 1.00 0.00 O ATOM 0 H GLU A 58 93.401 -7.742 6.240 1.00 0.00 H new ATOM 0 HA GLU A 58 96.148 -8.520 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.472 -9.872 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 58 94.741 -10.077 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 58 96.250 -11.056 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 58 95.323 -10.469 6.760 1.00 0.00 H new ATOM 943 N ALA A 59 95.894 -7.204 3.223 1.00 0.00 N ATOM 944 CA ALA A 59 95.767 -6.286 2.097 1.00 0.00 C ATOM 945 C ALA A 59 96.047 -6.981 0.776 1.00 0.00 C ATOM 946 O ALA A 59 97.012 -7.734 0.646 1.00 0.00 O ATOM 947 CB ALA A 59 96.774 -5.140 2.269 1.00 0.00 C ATOM 0 H ALA A 59 96.831 -7.584 3.360 1.00 0.00 H new ATOM 0 HA ALA A 59 94.744 -5.910 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.685 -4.449 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.567 -4.611 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.785 -5.546 2.299 1.00 0.00 H new ATOM 953 N ARG A 60 95.216 -6.686 -0.215 1.00 0.00 N ATOM 954 CA ARG A 60 95.397 -7.245 -1.545 1.00 0.00 C ATOM 955 C ARG A 60 95.500 -6.101 -2.540 1.00 0.00 C ATOM 956 O ARG A 60 94.647 -5.215 -2.556 1.00 0.00 O ATOM 957 CB ARG A 60 94.200 -8.128 -1.916 1.00 0.00 C ATOM 958 CG ARG A 60 94.281 -9.469 -1.169 1.00 0.00 C ATOM 959 CD ARG A 60 93.497 -10.545 -1.936 1.00 0.00 C ATOM 960 NE ARG A 60 92.619 -11.275 -1.028 1.00 0.00 N ATOM 961 CZ ARG A 60 92.193 -12.500 -1.319 1.00 0.00 C ATOM 962 NH1 ARG A 60 92.579 -13.079 -2.423 1.00 0.00 N ATOM 963 NH2 ARG A 60 91.391 -13.125 -0.501 1.00 0.00 N ATOM 0 H ARG A 60 94.413 -6.064 -0.122 1.00 0.00 H new ATOM 0 HA ARG A 60 96.302 -7.852 -1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.270 -7.618 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.186 -8.302 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.322 -9.773 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.876 -9.360 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 60 92.908 -10.081 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.190 -11.236 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 60 92.327 -10.838 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 60 93.207 -12.592 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 60 92.253 -14.019 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 60 91.090 -12.673 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 60 91.065 -14.065 -0.725 1.00 0.00 H new ATOM 977 N LEU A 61 96.545 -6.101 -3.358 1.00 0.00 N ATOM 978 CA LEU A 61 96.727 -5.027 -4.332 1.00 0.00 C ATOM 979 C LEU A 61 96.428 -5.526 -5.740 1.00 0.00 C ATOM 980 O LEU A 61 96.710 -6.677 -6.072 1.00 0.00 O ATOM 981 CB LEU A 61 98.164 -4.492 -4.270 1.00 0.00 C ATOM 982 CG LEU A 61 98.656 -4.483 -2.819 1.00 0.00 C ATOM 983 CD1 LEU A 61 100.081 -3.925 -2.771 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.739 -3.600 -1.967 1.00 0.00 C ATOM 0 H LEU A 61 97.270 -6.819 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 61 96.033 -4.223 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.819 -5.113 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.204 -3.484 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 61 98.644 -5.500 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.434 -3.917 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.738 -4.552 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.087 -2.908 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 61 98.093 -3.597 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.748 -2.582 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.722 -3.992 -2.001 1.00 0.00 H new ATOM 996 N TYR A 62 95.855 -4.652 -6.563 1.00 0.00 N ATOM 997 CA TYR A 62 95.524 -5.017 -7.937 1.00 0.00 C ATOM 998 C TYR A 62 96.082 -3.991 -8.917 1.00 0.00 C ATOM 999 O TYR A 62 95.603 -2.854 -8.990 1.00 0.00 O ATOM 1000 CB TYR A 62 94.006 -5.112 -8.108 1.00 0.00 C ATOM 1001 CG TYR A 62 93.416 -5.912 -6.974 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.316 -5.346 -5.698 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.968 -7.218 -7.198 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.765 -6.088 -4.645 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.417 -7.961 -6.146 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.316 -7.395 -4.869 1.00 0.00 C ATOM 1007 OH TYR A 62 91.771 -8.126 -3.832 1.00 0.00 O ATOM 0 H TYR A 62 95.612 -3.695 -6.306 1.00 0.00 H new ATOM 0 HA TYR A 62 95.974 -5.987 -8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.569 -4.113 -8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.766 -5.583 -9.061 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.663 -4.338 -5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.047 -7.654 -8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.687 -5.652 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.071 -8.969 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 62 91.510 -9.012 -4.159 1.00 0.00 H new ATOM 1017 N LEU A 63 97.089 -4.412 -9.677 1.00 0.00 N ATOM 1018 CA LEU A 63 97.715 -3.546 -10.672 1.00 0.00 C ATOM 1019 C LEU A 63 97.268 -3.975 -12.064 1.00 0.00 C ATOM 1020 O LEU A 63 96.238 -3.521 -12.562 1.00 0.00 O ATOM 1021 CB LEU A 63 99.243 -3.637 -10.559 1.00 0.00 C ATOM 1022 CG LEU A 63 99.755 -2.545 -9.620 1.00 0.00 C ATOM 1023 CD1 LEU A 63 99.103 -2.714 -8.244 1.00 0.00 C ATOM 1024 CD2 LEU A 63 101.282 -2.652 -9.488 1.00 0.00 C ATOM 0 H LEU A 63 97.489 -5.349 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 63 97.413 -2.514 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.532 -4.618 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.698 -3.526 -11.543 1.00 0.00 H new ATOM 0 HG LEU A 63 99.500 -1.566 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 63 99.466 -1.937 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 63 98.020 -2.633 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 63 99.358 -3.693 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 63 101.645 -1.872 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 63 101.545 -3.629 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 63 101.741 -2.530 -10.469 1.00 0.00 H new ATOM 1036 N GLY A 64 98.035 -4.870 -12.678 1.00 0.00 N ATOM 1037 CA GLY A 64 97.684 -5.370 -14.000 1.00 0.00 C ATOM 1038 C GLY A 64 96.435 -6.233 -13.901 1.00 0.00 C ATOM 1039 O GLY A 64 95.899 -6.428 -12.809 1.00 0.00 O ATOM 0 H GLY A 64 98.893 -5.259 -12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.510 -4.537 -14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.509 -5.951 -14.411 1.00 0.00 H new ATOM 1043 N LEU A 65 95.964 -6.750 -15.028 1.00 0.00 N ATOM 1044 CA LEU A 65 94.771 -7.583 -15.004 1.00 0.00 C ATOM 1045 C LEU A 65 95.100 -8.956 -14.418 1.00 0.00 C ATOM 1046 O LEU A 65 94.253 -9.588 -13.788 1.00 0.00 O ATOM 1047 CB LEU A 65 94.178 -7.716 -16.416 1.00 0.00 C ATOM 1048 CG LEU A 65 94.840 -8.882 -17.171 1.00 0.00 C ATOM 1049 CD1 LEU A 65 94.147 -10.211 -16.818 1.00 0.00 C ATOM 1050 CD2 LEU A 65 94.732 -8.634 -18.680 1.00 0.00 C ATOM 0 H LEU A 65 96.379 -6.612 -15.950 1.00 0.00 H new ATOM 0 HA LEU A 65 94.023 -7.108 -14.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 93.103 -7.881 -16.351 1.00 0.00 H new ATOM 0 HB3 LEU A 65 94.325 -6.788 -16.968 1.00 0.00 H new ATOM 0 HG LEU A 65 95.888 -8.944 -16.879 1.00 0.00 H new ATOM 0 HD11 LEU A 65 94.626 -11.026 -17.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.228 -10.390 -15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 65 93.095 -10.158 -17.098 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.200 -9.458 -19.219 1.00 0.00 H new ATOM 0 HD22 LEU A 65 93.682 -8.565 -18.963 1.00 0.00 H new ATOM 0 HD23 LEU A 65 95.237 -7.702 -18.933 1.00 0.00 H new ATOM 1062 N ASP A 66 96.333 -9.413 -14.635 1.00 0.00 N ATOM 1063 CA ASP A 66 96.791 -10.707 -14.142 1.00 0.00 C ATOM 1064 C ASP A 66 97.689 -10.547 -12.917 1.00 0.00 C ATOM 1065 O ASP A 66 98.320 -11.508 -12.478 1.00 0.00 O ATOM 1066 CB ASP A 66 97.619 -11.376 -15.244 1.00 0.00 C ATOM 1067 CG ASP A 66 97.790 -12.860 -14.939 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.466 -13.258 -13.833 1.00 0.00 O ATOM 1069 OD2 ASP A 66 98.240 -13.578 -15.818 1.00 0.00 O ATOM 0 H ASP A 66 97.040 -8.896 -15.157 1.00 0.00 H new ATOM 0 HA ASP A 66 95.919 -11.302 -13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.127 -11.249 -16.208 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.595 -10.897 -15.319 1.00 0.00 H new ATOM 1074 N VAL A 67 97.765 -9.333 -12.379 1.00 0.00 N ATOM 1075 CA VAL A 67 98.622 -9.085 -11.217 1.00 0.00 C ATOM 1076 C VAL A 67 97.812 -8.964 -9.934 1.00 0.00 C ATOM 1077 O VAL A 67 97.324 -7.889 -9.582 1.00 0.00 O ATOM 1078 CB VAL A 67 99.459 -7.813 -11.429 1.00 0.00 C ATOM 1079 CG1 VAL A 67 99.998 -7.310 -10.083 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.642 -8.125 -12.353 1.00 0.00 C ATOM 0 H VAL A 67 97.255 -8.518 -12.719 1.00 0.00 H new ATOM 0 HA VAL A 67 99.288 -9.942 -11.115 1.00 0.00 H new ATOM 0 HB VAL A 67 98.828 -7.046 -11.879 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.590 -6.409 -10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.164 -7.084 -9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.624 -8.080 -9.631 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.235 -7.223 -12.503 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.264 -8.897 -11.900 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.269 -8.478 -13.315 1.00 0.00 H new ATOM 1090 N LEU A 68 97.707 -10.082 -9.225 1.00 0.00 N ATOM 1091 CA LEU A 68 97.000 -10.120 -7.956 1.00 0.00 C ATOM 1092 C LEU A 68 98.030 -10.348 -6.853 1.00 0.00 C ATOM 1093 O LEU A 68 98.710 -11.375 -6.837 1.00 0.00 O ATOM 1094 CB LEU A 68 95.959 -11.250 -7.976 1.00 0.00 C ATOM 1095 CG LEU A 68 95.673 -11.747 -6.556 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.221 -10.578 -5.673 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.567 -12.805 -6.607 1.00 0.00 C ATOM 0 H LEU A 68 98.105 -10.976 -9.511 1.00 0.00 H new ATOM 0 HA LEU A 68 96.472 -9.183 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.037 -10.894 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.322 -12.075 -8.589 1.00 0.00 H new ATOM 0 HG LEU A 68 96.581 -12.180 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.020 -10.940 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 68 96.007 -9.824 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.314 -10.138 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.359 -13.163 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.663 -12.367 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.891 -13.640 -7.229 1.00 0.00 H new ATOM 1109 N ILE A 69 98.160 -9.381 -5.951 1.00 0.00 N ATOM 1110 CA ILE A 69 99.136 -9.489 -4.869 1.00 0.00 C ATOM 1111 C ILE A 69 98.444 -9.581 -3.513 1.00 0.00 C ATOM 1112 O ILE A 69 97.417 -8.944 -3.282 1.00 0.00 O ATOM 1113 CB ILE A 69 100.076 -8.274 -4.915 1.00 0.00 C ATOM 1114 CG1 ILE A 69 100.960 -8.371 -6.177 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.961 -8.243 -3.658 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.013 -7.015 -6.888 1.00 0.00 C ATOM 0 H ILE A 69 97.609 -8.522 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 69 99.715 -10.402 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 69 99.486 -7.358 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 69 101.967 -8.686 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.562 -9.129 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.623 -7.378 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.331 -8.174 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.557 -9.154 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.639 -7.094 -7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 69 100.006 -6.717 -7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.432 -6.267 -6.215 1.00 0.00 H new ATOM 1128 N ARG A 70 99.032 -10.373 -2.612 1.00 0.00 N ATOM 1129 CA ARG A 70 98.484 -10.538 -1.267 1.00 0.00 C ATOM 1130 C ARG A 70 99.555 -10.289 -0.211 1.00 0.00 C ATOM 1131 O ARG A 70 100.658 -10.848 -0.273 1.00 0.00 O ATOM 1132 CB ARG A 70 97.906 -11.943 -1.101 1.00 0.00 C ATOM 1133 CG ARG A 70 98.959 -12.985 -1.489 1.00 0.00 C ATOM 1134 CD ARG A 70 98.309 -14.369 -1.594 1.00 0.00 C ATOM 1135 NE ARG A 70 99.024 -15.185 -2.571 1.00 0.00 N ATOM 1136 CZ ARG A 70 98.379 -16.020 -3.385 1.00 0.00 C ATOM 1137 NH1 ARG A 70 97.081 -16.139 -3.313 1.00 0.00 N ATOM 1138 NH2 ARG A 70 99.049 -16.723 -4.257 1.00 0.00 N ATOM 0 H ARG A 70 99.883 -10.907 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 70 97.688 -9.806 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.591 -12.097 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.020 -12.058 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 70 99.417 -12.715 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.756 -13.003 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 70 98.320 -14.860 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 70 97.264 -14.268 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 70 100.040 -15.114 -2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 70 96.556 -15.591 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 70 96.592 -16.780 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 70 100.063 -16.632 -4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 70 98.558 -17.363 -4.881 1.00 0.00 H new ATOM 1152 N MET A 71 99.216 -9.456 0.767 1.00 0.00 N ATOM 1153 CA MET A 71 100.134 -9.130 1.851 1.00 0.00 C ATOM 1154 C MET A 71 99.370 -9.066 3.166 1.00 0.00 C ATOM 1155 O MET A 71 98.210 -8.662 3.198 1.00 0.00 O ATOM 1156 CB MET A 71 100.819 -7.775 1.587 1.00 0.00 C ATOM 1157 CG MET A 71 100.911 -7.508 0.078 1.00 0.00 C ATOM 1158 SD MET A 71 102.337 -6.449 -0.284 1.00 0.00 S ATOM 1159 CE MET A 71 102.075 -5.208 1.004 1.00 0.00 C ATOM 0 H MET A 71 98.309 -8.993 0.831 1.00 0.00 H new ATOM 0 HA MET A 71 100.898 -9.905 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.257 -6.976 2.071 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.817 -7.773 2.025 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.003 -8.451 -0.461 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.996 -7.030 -0.271 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.509 -4.259 0.688 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.006 -5.080 1.174 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.552 -5.536 1.928 1.00 0.00 H new ATOM 1169 N GLU A 72 100.031 -9.440 4.252 1.00 0.00 N ATOM 1170 CA GLU A 72 99.406 -9.388 5.568 1.00 0.00 C ATOM 1171 C GLU A 72 99.886 -8.123 6.255 1.00 0.00 C ATOM 1172 O GLU A 72 101.079 -7.826 6.215 1.00 0.00 O ATOM 1173 CB GLU A 72 99.793 -10.617 6.391 1.00 0.00 C ATOM 1174 CG GLU A 72 98.868 -10.732 7.604 1.00 0.00 C ATOM 1175 CD GLU A 72 99.127 -12.049 8.330 1.00 0.00 C ATOM 1176 OE1 GLU A 72 100.038 -12.086 9.140 1.00 0.00 O ATOM 1177 OE2 GLU A 72 98.411 -12.999 8.063 1.00 0.00 O ATOM 0 H GLU A 72 100.993 -9.780 4.250 1.00 0.00 H new ATOM 0 HA GLU A 72 98.320 -9.382 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.720 -11.516 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.830 -10.537 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.035 -9.894 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.827 -10.681 7.285 1.00 0.00 H new ATOM 1184 N ILE A 73 98.984 -7.343 6.844 1.00 0.00 N ATOM 1185 CA ILE A 73 99.419 -6.097 7.460 1.00 0.00 C ATOM 1186 C ILE A 73 98.685 -5.783 8.761 1.00 0.00 C ATOM 1187 O ILE A 73 97.574 -6.256 9.000 1.00 0.00 O ATOM 1188 CB ILE A 73 99.172 -4.973 6.459 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.657 -4.773 6.287 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.787 -5.368 5.114 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.367 -3.747 5.183 1.00 0.00 C ATOM 0 H ILE A 73 97.985 -7.541 6.907 1.00 0.00 H new ATOM 0 HA ILE A 73 100.474 -6.195 7.714 1.00 0.00 H new ATOM 0 HB ILE A 73 99.623 -4.047 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.185 -5.724 6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.221 -4.436 7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.617 -4.572 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 73 100.859 -5.525 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.324 -6.288 4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.289 -3.621 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.821 -2.791 5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.785 -4.099 4.240 1.00 0.00 H new ATOM 1203 N SER A 74 99.330 -4.964 9.586 1.00 0.00 N ATOM 1204 CA SER A 74 98.764 -4.547 10.865 1.00 0.00 C ATOM 1205 C SER A 74 98.699 -3.022 10.936 1.00 0.00 C ATOM 1206 O SER A 74 99.457 -2.330 10.257 1.00 0.00 O ATOM 1207 CB SER A 74 99.627 -5.079 12.012 1.00 0.00 C ATOM 1208 OG SER A 74 100.996 -4.997 11.641 1.00 0.00 O ATOM 0 H SER A 74 100.252 -4.573 9.390 1.00 0.00 H new ATOM 0 HA SER A 74 97.756 -4.952 10.954 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.448 -4.499 12.918 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.359 -6.112 12.236 1.00 0.00 H new ATOM 0 HG SER A 74 101.554 -5.335 12.372 1.00 0.00 H new ATOM 1214 N LEU A 75 97.792 -2.505 11.757 1.00 0.00 N ATOM 1215 CA LEU A 75 97.631 -1.059 11.905 1.00 0.00 C ATOM 1216 C LEU A 75 98.871 -0.438 12.542 1.00 0.00 C ATOM 1217 O LEU A 75 99.221 -0.747 13.682 1.00 0.00 O ATOM 1218 CB LEU A 75 96.396 -0.777 12.778 1.00 0.00 C ATOM 1219 CG LEU A 75 95.629 0.439 12.243 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.091 0.146 10.834 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.458 0.748 13.178 1.00 0.00 C ATOM 0 H LEU A 75 97.158 -3.062 12.330 1.00 0.00 H new ATOM 0 HA LEU A 75 97.497 -0.614 10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.744 -1.650 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.704 -0.596 13.808 1.00 0.00 H new ATOM 0 HG LEU A 75 96.303 1.294 12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.548 1.016 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 75 95.923 -0.074 10.165 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.419 -0.712 10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 75 93.910 1.612 12.802 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.791 -0.113 13.223 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.837 0.966 14.176 1.00 0.00 H new ATOM 1233 N ALA A 76 99.509 0.476 11.807 1.00 0.00 N ATOM 1234 CA ALA A 76 100.681 1.180 12.319 1.00 0.00 C ATOM 1235 C ALA A 76 100.277 2.547 12.884 1.00 0.00 C ATOM 1236 O ALA A 76 100.772 2.974 13.928 1.00 0.00 O ATOM 1237 CB ALA A 76 101.741 1.317 11.227 1.00 0.00 C ATOM 0 H ALA A 76 99.234 0.743 10.862 1.00 0.00 H new ATOM 0 HA ALA A 76 101.116 0.598 13.132 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.608 1.844 11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 76 102.043 0.326 10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.329 1.878 10.388 1.00 0.00 H new ATOM 1243 N TRP A 77 99.375 3.221 12.173 1.00 0.00 N ATOM 1244 CA TRP A 77 98.894 4.544 12.584 1.00 0.00 C ATOM 1245 C TRP A 77 97.713 4.969 11.707 1.00 0.00 C ATOM 1246 O TRP A 77 97.422 4.326 10.700 1.00 0.00 O ATOM 1247 CB TRP A 77 100.024 5.573 12.437 1.00 0.00 C ATOM 1248 CG TRP A 77 100.381 5.663 10.992 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.349 4.941 10.385 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.788 6.501 9.957 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.348 5.236 9.040 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.417 6.206 8.728 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.763 7.463 9.959 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.053 6.845 7.545 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.391 8.110 8.768 1.00 0.00 C ATOM 1256 CH2 TRP A 77 99.040 7.807 7.563 1.00 0.00 C ATOM 0 H TRP A 77 98.960 2.874 11.308 1.00 0.00 H new ATOM 0 HA TRP A 77 98.573 4.494 13.624 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.705 6.545 12.812 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.891 5.273 13.026 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.015 4.246 10.875 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.961 4.791 8.357 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.258 7.707 10.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.551 6.598 6.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.600 8.845 8.781 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.758 8.315 6.653 1.00 0.00 H new ATOM 1267 N ALA A 78 97.047 6.062 12.080 1.00 0.00 N ATOM 1268 CA ALA A 78 95.917 6.566 11.296 1.00 0.00 C ATOM 1269 C ALA A 78 95.794 8.077 11.461 1.00 0.00 C ATOM 1270 O ALA A 78 95.681 8.570 12.584 1.00 0.00 O ATOM 1271 CB ALA A 78 94.630 5.913 11.801 1.00 0.00 C ATOM 0 H ALA A 78 97.266 6.611 12.911 1.00 0.00 H new ATOM 0 HA ALA A 78 96.080 6.329 10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.783 6.283 11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.702 4.831 11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.486 6.159 12.853 1.00 0.00 H new ATOM 1277 N ARG A 79 95.811 8.822 10.354 1.00 0.00 N ATOM 1278 CA ARG A 79 95.692 10.275 10.454 1.00 0.00 C ATOM 1279 C ARG A 79 95.069 10.916 9.208 1.00 0.00 C ATOM 1280 O ARG A 79 95.485 10.638 8.083 1.00 0.00 O ATOM 1281 CB ARG A 79 97.078 10.881 10.712 1.00 0.00 C ATOM 1282 CG ARG A 79 96.944 12.287 11.308 1.00 0.00 C ATOM 1283 CD ARG A 79 98.330 12.822 11.695 1.00 0.00 C ATOM 1284 NE ARG A 79 98.657 13.993 10.886 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.485 14.932 11.334 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.029 14.812 12.514 1.00 0.00 N ATOM 1287 NH2 ARG A 79 99.756 15.971 10.593 1.00 0.00 N ATOM 0 H ARG A 79 95.903 8.457 9.406 1.00 0.00 H new ATOM 0 HA ARG A 79 95.018 10.486 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.640 10.242 11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.641 10.926 9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.475 12.955 10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.297 12.260 12.185 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.345 13.085 12.753 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.082 12.047 11.548 1.00 0.00 H new ATOM 0 HE ARG A 79 98.242 14.092 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 79 99.819 13.998 13.092 1.00 0.00 H new ATOM 0 HH12 ARG A 79 100.664 15.532 12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 79 99.333 16.063 9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 79 100.391 16.691 10.937 1.00 0.00 H new ATOM 1301 N ASP A 80 94.117 11.827 9.428 1.00 0.00 N ATOM 1302 CA ASP A 80 93.496 12.569 8.330 1.00 0.00 C ATOM 1303 C ASP A 80 92.849 11.685 7.267 1.00 0.00 C ATOM 1304 O ASP A 80 93.027 11.927 6.073 1.00 0.00 O ATOM 1305 CB ASP A 80 94.545 13.463 7.666 1.00 0.00 C ATOM 1306 CG ASP A 80 94.940 14.593 8.612 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.701 14.453 9.800 1.00 0.00 O ATOM 1308 OD2 ASP A 80 95.474 15.580 8.134 1.00 0.00 O ATOM 0 H ASP A 80 93.761 12.067 10.353 1.00 0.00 H new ATOM 0 HA ASP A 80 92.693 13.156 8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.423 12.874 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.149 13.876 6.738 1.00 0.00 H new ATOM 1313 N GLY A 81 92.059 10.700 7.677 1.00 0.00 N ATOM 1314 CA GLY A 81 91.363 9.859 6.707 1.00 0.00 C ATOM 1315 C GLY A 81 92.216 8.707 6.192 1.00 0.00 C ATOM 1316 O GLY A 81 91.681 7.668 5.807 1.00 0.00 O ATOM 0 H GLY A 81 91.885 10.465 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.460 9.457 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.046 10.473 5.864 1.00 0.00 H new ATOM 1320 N LEU A 82 93.531 8.882 6.162 1.00 0.00 N ATOM 1321 CA LEU A 82 94.400 7.826 5.658 1.00 0.00 C ATOM 1322 C LEU A 82 94.811 6.889 6.784 1.00 0.00 C ATOM 1323 O LEU A 82 94.768 7.255 7.958 1.00 0.00 O ATOM 1324 CB LEU A 82 95.647 8.439 5.015 1.00 0.00 C ATOM 1325 CG LEU A 82 95.261 9.718 4.270 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.482 10.263 3.529 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.153 9.405 3.262 1.00 0.00 C ATOM 0 H LEU A 82 94.012 9.726 6.473 1.00 0.00 H new ATOM 0 HA LEU A 82 93.851 7.254 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.391 8.661 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.101 7.727 4.326 1.00 0.00 H new ATOM 0 HG LEU A 82 94.906 10.462 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.208 11.174 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.273 10.484 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.836 9.519 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.877 10.316 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.510 8.662 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.282 9.014 3.788 1.00 0.00 H new ATOM 1339 N LEU A 83 95.198 5.676 6.414 1.00 0.00 N ATOM 1340 CA LEU A 83 95.604 4.679 7.392 1.00 0.00 C ATOM 1341 C LEU A 83 96.951 4.082 7.033 1.00 0.00 C ATOM 1342 O LEU A 83 97.182 3.723 5.879 1.00 0.00 O ATOM 1343 CB LEU A 83 94.593 3.529 7.364 1.00 0.00 C ATOM 1344 CG LEU A 83 93.170 4.068 7.510 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.180 2.922 7.276 1.00 0.00 C ATOM 1346 CD2 LEU A 83 92.970 4.637 8.920 1.00 0.00 C ATOM 0 H LEU A 83 95.239 5.360 5.445 1.00 0.00 H new ATOM 0 HA LEU A 83 95.658 5.162 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.686 2.977 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.808 2.828 8.170 1.00 0.00 H new ATOM 0 HG LEU A 83 93.002 4.861 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.161 3.295 7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.320 2.519 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.353 2.136 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.954 5.019 9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.134 3.850 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.680 5.446 9.090 1.00 0.00 H new ATOM 1358 N GLY A 84 97.832 3.945 8.009 1.00 0.00 N ATOM 1359 CA GLY A 84 99.130 3.353 7.749 1.00 0.00 C ATOM 1360 C GLY A 84 99.085 1.874 8.075 1.00 0.00 C ATOM 1361 O GLY A 84 98.296 1.438 8.912 1.00 0.00 O ATOM 0 H GLY A 84 97.675 4.231 8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.405 3.498 6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.894 3.846 8.351 1.00 0.00 H new ATOM 1365 N PHE A 85 99.917 1.102 7.402 1.00 0.00 N ATOM 1366 CA PHE A 85 99.942 -0.331 7.627 1.00 0.00 C ATOM 1367 C PHE A 85 101.350 -0.872 7.476 1.00 0.00 C ATOM 1368 O PHE A 85 102.038 -0.563 6.503 1.00 0.00 O ATOM 1369 CB PHE A 85 99.022 -1.009 6.616 1.00 0.00 C ATOM 1370 CG PHE A 85 97.609 -1.001 7.136 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.222 -1.923 8.112 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.686 -0.078 6.636 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.911 -1.923 8.593 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.372 -0.078 7.115 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.984 -1.000 8.094 1.00 0.00 C ATOM 0 H PHE A 85 100.578 1.438 6.702 1.00 0.00 H new ATOM 0 HA PHE A 85 99.601 -0.537 8.641 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.071 -0.490 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.350 -2.034 6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.937 -2.636 8.495 1.00 0.00 H new ATOM 0 HD2 PHE A 85 96.987 0.634 5.881 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.613 -2.634 9.349 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.657 0.633 6.729 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.970 -0.999 8.464 1.00 0.00 H new ATOM 1385 N GLU A 86 101.779 -1.685 8.433 1.00 0.00 N ATOM 1386 CA GLU A 86 103.115 -2.262 8.374 1.00 0.00 C ATOM 1387 C GLU A 86 103.012 -3.726 7.949 1.00 0.00 C ATOM 1388 O GLU A 86 102.248 -4.493 8.533 1.00 0.00 O ATOM 1389 CB GLU A 86 103.772 -2.169 9.752 1.00 0.00 C ATOM 1390 CG GLU A 86 103.130 -3.189 10.695 1.00 0.00 C ATOM 1391 CD GLU A 86 103.386 -2.795 12.145 1.00 0.00 C ATOM 1392 OE1 GLU A 86 102.857 -1.779 12.565 1.00 0.00 O ATOM 1393 OE2 GLU A 86 104.109 -3.514 12.815 1.00 0.00 O ATOM 0 H GLU A 86 101.230 -1.957 9.248 1.00 0.00 H new ATOM 0 HA GLU A 86 103.720 -1.716 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.842 -2.358 9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.656 -1.163 10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 86 102.057 -3.243 10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 86 103.538 -4.181 10.502 1.00 0.00 H new ATOM 1400 N CYS A 87 103.760 -4.104 6.919 1.00 0.00 N ATOM 1401 CA CYS A 87 103.707 -5.476 6.423 1.00 0.00 C ATOM 1402 C CYS A 87 104.440 -6.442 7.348 1.00 0.00 C ATOM 1403 O CYS A 87 105.615 -6.255 7.662 1.00 0.00 O ATOM 1404 CB CYS A 87 104.318 -5.548 5.021 1.00 0.00 C ATOM 1405 SG CYS A 87 103.514 -6.868 4.076 1.00 0.00 S ATOM 0 H CYS A 87 104.402 -3.491 6.417 1.00 0.00 H new ATOM 0 HA CYS A 87 102.659 -5.773 6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.194 -4.593 4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.389 -5.736 5.089 1.00 0.00 H new ATOM 0 HG CYS A 87 102.531 -7.361 4.769 1.00 0.00 H new ATOM 1411 N GLN A 88 103.729 -7.485 7.768 1.00 0.00 N ATOM 1412 CA GLN A 88 104.304 -8.498 8.645 1.00 0.00 C ATOM 1413 C GLN A 88 104.695 -9.733 7.837 1.00 0.00 C ATOM 1414 O GLN A 88 105.634 -10.446 8.192 1.00 0.00 O ATOM 1415 CB GLN A 88 103.298 -8.892 9.731 1.00 0.00 C ATOM 1416 CG GLN A 88 101.971 -9.326 9.087 1.00 0.00 C ATOM 1417 CD GLN A 88 100.793 -8.712 9.839 1.00 0.00 C ATOM 1418 OE1 GLN A 88 99.989 -9.434 10.428 1.00 0.00 O ATOM 1419 NE2 GLN A 88 100.643 -7.414 9.854 1.00 0.00 N ATOM 0 H GLN A 88 102.755 -7.650 7.515 1.00 0.00 H new ATOM 0 HA GLN A 88 105.194 -8.082 9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.702 -9.705 10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.128 -8.051 10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.947 -9.015 8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.892 -10.413 9.098 1.00 0.00 H new ATOM 0 HE21 GLN A 88 101.311 -6.818 9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 88 99.858 -6.997 10.355 1.00 0.00 H new ATOM 1428 N HIS A 89 103.977 -9.974 6.743 1.00 0.00 N ATOM 1429 CA HIS A 89 104.269 -11.120 5.890 1.00 0.00 C ATOM 1430 C HIS A 89 103.665 -10.911 4.504 1.00 0.00 C ATOM 1431 O HIS A 89 102.572 -10.373 4.367 1.00 0.00 O ATOM 1432 CB HIS A 89 103.710 -12.401 6.528 1.00 0.00 C ATOM 1433 CG HIS A 89 103.067 -13.266 5.476 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.689 -13.558 4.272 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.850 -13.897 5.430 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.853 -14.332 3.558 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.716 -14.570 4.220 1.00 0.00 N ATOM 0 H HIS A 89 103.197 -9.397 6.429 1.00 0.00 H new ATOM 0 HA HIS A 89 105.349 -11.220 5.786 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.512 -12.950 7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 89 102.980 -12.145 7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 89 101.108 -13.875 6.215 1.00 0.00 H new ATOM 0 HE1 HIS A 89 103.073 -14.714 2.572 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.921 -15.126 3.905 1.00 0.00 H new ATOM 1445 N ILE A 90 104.399 -11.326 3.485 1.00 0.00 N ATOM 1446 CA ILE A 90 103.960 -11.178 2.102 1.00 0.00 C ATOM 1447 C ILE A 90 104.443 -12.364 1.268 1.00 0.00 C ATOM 1448 O ILE A 90 105.548 -12.872 1.460 1.00 0.00 O ATOM 1449 CB ILE A 90 104.488 -9.858 1.544 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.198 -9.766 0.041 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.995 -9.773 1.794 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.680 -8.413 -0.489 1.00 0.00 C ATOM 0 H ILE A 90 105.310 -11.772 3.589 1.00 0.00 H new ATOM 0 HA ILE A 90 102.871 -11.163 2.060 1.00 0.00 H new ATOM 0 HB ILE A 90 103.989 -9.028 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.701 -10.576 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.130 -9.881 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.377 -8.832 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.189 -9.821 2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.494 -10.605 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.474 -8.347 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 90 104.157 -7.611 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.752 -8.317 -0.319 1.00 0.00 H new ATOM 1464 N ASP A 91 103.570 -12.817 0.364 1.00 0.00 N ATOM 1465 CA ASP A 91 103.863 -13.973 -0.486 1.00 0.00 C ATOM 1466 C ASP A 91 105.152 -13.791 -1.294 1.00 0.00 C ATOM 1467 O ASP A 91 105.434 -12.712 -1.811 1.00 0.00 O ATOM 1468 CB ASP A 91 102.684 -14.221 -1.440 1.00 0.00 C ATOM 1469 CG ASP A 91 102.049 -15.583 -1.160 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.268 -15.670 -0.226 1.00 0.00 O ATOM 1471 OD2 ASP A 91 102.356 -16.516 -1.882 1.00 0.00 O ATOM 0 H ASP A 91 102.653 -12.400 0.202 1.00 0.00 H new ATOM 0 HA ASP A 91 104.008 -14.833 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.939 -13.434 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 91 103.029 -14.179 -2.473 1.00 0.00 H new ATOM 1476 N LEU A 92 105.919 -14.877 -1.389 1.00 0.00 N ATOM 1477 CA LEU A 92 107.181 -14.860 -2.128 1.00 0.00 C ATOM 1478 C LEU A 92 106.957 -14.362 -3.554 1.00 0.00 C ATOM 1479 O LEU A 92 107.738 -13.565 -4.072 1.00 0.00 O ATOM 1480 CB LEU A 92 107.779 -16.271 -2.170 1.00 0.00 C ATOM 1481 CG LEU A 92 109.274 -16.191 -2.515 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.093 -15.990 -1.237 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.714 -17.491 -3.195 1.00 0.00 C ATOM 0 H LEU A 92 105.690 -15.776 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 92 107.871 -14.186 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.644 -16.762 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.257 -16.876 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 92 109.439 -15.349 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.152 -15.934 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.786 -15.064 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.924 -16.828 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.775 -17.433 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.542 -18.330 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.139 -17.636 -4.109 1.00 0.00 H new ATOM 1495 N ASP A 93 105.879 -14.826 -4.179 1.00 0.00 N ATOM 1496 CA ASP A 93 105.559 -14.406 -5.536 1.00 0.00 C ATOM 1497 C ASP A 93 105.144 -12.941 -5.529 1.00 0.00 C ATOM 1498 O ASP A 93 105.483 -12.179 -6.435 1.00 0.00 O ATOM 1499 CB ASP A 93 104.426 -15.265 -6.103 1.00 0.00 C ATOM 1500 CG ASP A 93 104.383 -15.134 -7.622 1.00 0.00 C ATOM 1501 OD1 ASP A 93 104.724 -14.071 -8.115 1.00 0.00 O ATOM 1502 OD2 ASP A 93 104.011 -16.098 -8.271 1.00 0.00 O ATOM 0 H ASP A 93 105.218 -15.487 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 93 106.440 -14.531 -6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.574 -16.308 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.473 -14.953 -5.676 1.00 0.00 H new ATOM 1507 N SER A 94 104.418 -12.554 -4.485 1.00 0.00 N ATOM 1508 CA SER A 94 103.969 -11.177 -4.343 1.00 0.00 C ATOM 1509 C SER A 94 105.166 -10.273 -4.077 1.00 0.00 C ATOM 1510 O SER A 94 105.217 -9.133 -4.540 1.00 0.00 O ATOM 1511 CB SER A 94 102.975 -11.077 -3.188 1.00 0.00 C ATOM 1512 OG SER A 94 103.081 -9.795 -2.586 1.00 0.00 O ATOM 0 H SER A 94 104.130 -13.174 -3.728 1.00 0.00 H new ATOM 0 HA SER A 94 103.479 -10.860 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 94 101.960 -11.238 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 94 103.176 -11.855 -2.452 1.00 0.00 H new ATOM 0 HG SER A 94 102.324 -9.655 -1.979 1.00 0.00 H new ATOM 1518 N ILE A 95 106.134 -10.804 -3.338 1.00 0.00 N ATOM 1519 CA ILE A 95 107.345 -10.058 -3.019 1.00 0.00 C ATOM 1520 C ILE A 95 108.048 -9.646 -4.302 1.00 0.00 C ATOM 1521 O ILE A 95 108.625 -8.562 -4.385 1.00 0.00 O ATOM 1522 CB ILE A 95 108.293 -10.914 -2.163 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.807 -10.915 -0.710 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.716 -10.339 -2.222 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.713 -11.804 0.149 1.00 0.00 C ATOM 0 H ILE A 95 106.104 -11.747 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 95 107.068 -9.168 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 95 108.301 -11.933 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.806 -9.898 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.780 -11.276 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.381 -10.951 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.066 -10.339 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.712 -9.318 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.358 -11.797 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.692 -12.824 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.734 -11.424 0.114 1.00 0.00 H new ATOM 1537 N SER A 96 108.015 -10.527 -5.294 1.00 0.00 N ATOM 1538 CA SER A 96 108.677 -10.236 -6.555 1.00 0.00 C ATOM 1539 C SER A 96 107.935 -9.140 -7.312 1.00 0.00 C ATOM 1540 O SER A 96 108.565 -8.257 -7.891 1.00 0.00 O ATOM 1541 CB SER A 96 108.794 -11.492 -7.412 1.00 0.00 C ATOM 1542 OG SER A 96 110.103 -11.575 -7.960 1.00 0.00 O ATOM 0 H SER A 96 107.546 -11.432 -5.251 1.00 0.00 H new ATOM 0 HA SER A 96 109.683 -9.881 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.584 -12.376 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.055 -11.469 -8.212 1.00 0.00 H new ATOM 0 HG SER A 96 110.177 -12.383 -8.509 1.00 0.00 H new ATOM 1548 N HIS A 97 106.610 -9.180 -7.305 1.00 0.00 N ATOM 1549 CA HIS A 97 105.858 -8.148 -8.004 1.00 0.00 C ATOM 1550 C HIS A 97 106.167 -6.791 -7.376 1.00 0.00 C ATOM 1551 O HIS A 97 106.274 -5.782 -8.071 1.00 0.00 O ATOM 1552 CB HIS A 97 104.358 -8.431 -7.950 1.00 0.00 C ATOM 1553 CG HIS A 97 103.982 -9.455 -8.981 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.737 -9.115 -10.300 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.779 -10.810 -8.898 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.401 -10.239 -10.954 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.412 -11.304 -10.146 1.00 0.00 N ATOM 0 H HIS A 97 106.048 -9.892 -6.839 1.00 0.00 H new ATOM 0 HA HIS A 97 106.156 -8.142 -9.053 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.084 -8.788 -6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.801 -7.510 -8.123 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.888 -11.402 -8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.152 -10.278 -12.004 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.198 -12.271 -10.391 1.00 0.00 H new